2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine

C15H21F2N — CID 107514706

IUPAC2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(C2CC(C)(C)CCC2N)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-9-4-5-10(14(17)13(9)16)11-8-15(2,3)7-6-12(11)18/h4-5,11-12H,6-8,18H2,1-3H3
InChIKeyICNVLLWPBNZZJE-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.89
Rot. Bonds1

About 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine

2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 107514706) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID107514706
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCc1ccc(C2CC(C)(C)CCC2N)c(F)c1F
InChIInChI=1S/C15H21F2N/c1-9-4-5-10(14(17)13(9)16)11-8-15(2,3)7-6-12(11)18/h4-5,11-12H,6-8,18H2,1-3H3
InChIKeyICNVLLWPBNZZJE-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-4,4-dimethylcyclohexan-1-amine
CID 105396251
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81013823
2-(5-fluoro-3-pyridinyl)-4,4-dimethylcyclohexan-1-amine
CID 81014855
2-(2,6-dimethoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 116811362
(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 107513467
2-(3-fluoro-2-methoxy-4-methylphenyl)-5,5-dimethylcyclohexane-1-carboxamide
CID 177193199
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexan-1-amine
CID 115375622
1-(2-bromocyclopentyl)-2,3-difluoro-4-methylbenzene
CID 107514239
4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 106784508
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840
[4-tert-butyl-2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 107514718

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine (CID 107514706) is 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine is Cc1ccc(C2CC(C)(C)CCC2N)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is ICNVLLWPBNZZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-9-4-5-10(14(17)13(9)16)11-8-15(2,3)7-6-12(11)18/h4-5,11-12H,6-8,18H2,1-3H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine?
2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107514706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).